From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Mon Jan 26 2004 - 17:52:55 CST
Hi,
This feature:
http://www.ks.uiuc.edu/Research/namd/2.5/ug/node36.html
lets you extract interaction energies between groups of atoms, but there's
no way to get the potential of each individual atom.
-Jim
On Fri, 23 Jan 2004, Hyonseok Hwang wrote:
> Dear all,
>
> I would like to get potential energy between individual atoms. For
> example, When there are many atoms in simulation box, I would like to
> obtain the potential energies that each atom has. Is there any command
> or options in NAMD or is there any program to extract the potential
> energies from the DCD file or in any other ways?
>
> Thanks a lot!
>
> -Hyon
>
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